4-[2-[1-(1,3-benzodioxol-5-yl)prop-2-enyl]pyrrolidin-1-yl]-2-imidazol-1-yl-pyrimidine

Systemtic Name: 4-[2-[1-(1,3-benzodioxol-5-yl)prop-2-enyl]pyrrolidin-1-yl]-2-imidazol-1-yl-pyrimidine Openeye Name: 4-[2-[1-(1,3-benzodioxol-5-yl)allyl]pyrrolidin-1-yl]-2-imidazol-1-yl-pyrimidine CAS Name: 4-[2-[1-(1,3-benzodioxol-5-yl)prop-2-enyl]-1-pyrrolidinyl]-2-(1-imidazolyl)pyrimidine IUPAC Name: 4-[2-[1-(1,3-benzodioxol-5-yl)prop-2-enyl]pyrrolidin-1-yl]-2-imidazol-1-ylpyrimidine Traditional Name: 4-[2-[1-(1,3-benzodioxol-5-yl)allyl]pyrrolidino]-2-imidazol-1-yl-pyrimidine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C1CCCN1C2=NC(=NC=C2)N3C=CN=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=CC(C1CCCN1C2=NC(=NC=C2)N3C=CN=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N5O2/c1-2-16(15-5-6-18-19(12-15)28-14-27-18)17-4-3-10-26(17)20-7-8-23-21(24-20)25-11-9-22-13-25/h2,5-9,11-13,16-17H,1,3-4,10,14H2